In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2010 | 15 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | -0.43 | 3.33 | -84.69 | 2 | 6 | 0 | 86 | 208.221 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.43 | 2.02 | -51.83 | 1 | 6 | -1 | 81 | 207.213 | 2 | ↓ |